4-Bromo-1-(2-chlorobenzyl)-3-isothiocyanato-1h-pyrazole CAS 1004192-79-3
| CAS No. | 1004192-79-3 |
| Molecular Formula | C11H7BrClN3S |
| Molecular Weight | 328.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
4-Bromo-1-(2-chlorobenzyl)-3-isothiocyanato-1h-pyrazole (CAS 1004192-79-3) is a high-purity analytical reference standard with the molecular formula C11H7BrClN3S and a molecular weight of 328.62 g/mol.
4-Bromo-1-(2-chlorobenzyl)-3-isothiocyanato-1h-pyrazole (C11H7BrClN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures 4-Bromo-1-(2-chlorobenzyl)-3-isothiocyanato-1h-pyrazole under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C11H7BrClN3S |
| Molecular Weight | 328.62 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Ethyl 2-(5-methyl-2,3-dioxoindolin-1-yl)acetate (CAS 620931-24-0)
- 4-amino-N,3-dimethyl-1H-pyrazole-5-carboxamide (CAS 68375-44-0)
- 2-Chloro-1-(4-ethynylphenyl)ethan-1-one (CAS 98994-30-0)
- 2-Isocyanohexanoic acid methyl ester (CAS 730964-70-2)
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- Semaglutide Impurity 131 (CAS 2618647-80-4)
Why CATO?
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